C41H51N5O8Si Guanosine, 5′-O- )
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 769.96 | - |
| Ubucucike (Biteganijwe) | 1.25 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 9.16 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3O [Si] (C) (C) C (C) (C) C
Isomeric SMILES
C (OC [C @ H] 1O [C @ H] ([C @ H] (O [Si] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C3 = C (N = C2) C ( = O) N = C (NC (C (C) C) = O) N3) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
InChI
InChI = 1S / C41H51N5O8Si / c1-25 (2) 36 (48) 44-39-43-35-32 (37 (49) 45-39) 42-24-46 (35) 38-34 (54-55 ( 8,9) 40 (3,4) 5) 33 (47) 31 (53-38) 23-52-41 (2 6-13-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28 / h10-22,24-25,31,33-34,38,47H, 23H2,1-9H3, (H2,43,44,45,
48,49) / t31-, 33-, 34-, 38- / m1 / s1
InChI Urufunguzo
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Irindi zina kuriyi ngingo
5′-O- [Bis (4-mikorerexyphenyl) fenylmethyl] -2′-O -
Spectra irahari
1H NMR
13C NMR
Misa
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1.38 x 105 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 3.53 x 105 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 4.18 x 105 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 4.26 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 4.26 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 4.26 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 4.21 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 3.77 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.86 x 105 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 33800 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 1.21 x 105 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3.08 x 105 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3.65 x 105 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3.72 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3.73 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3.72 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3.68 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 3.30 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.62 x 105 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 29600 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.22 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.63 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.70 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.71 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.71 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.71 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.70 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.66 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.35 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.61 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 7.710 ± 0.709 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 2.7 x 10-5 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 8.5 x 10-5 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.3 x 10-5 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.8 x 10-5 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.7 x 10-5 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.7 x 10-5 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.7 x 10-5 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.8 x 10-5 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.1 x 10-5 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 6.2 x 10-5 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.5 x 10-4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.8 x 10-5 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 3.5 x 10-8 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-7 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.3 x 10-8 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.6 x 10-8 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.5 x 10-8 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.5 x 10-8 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 3.5 x 10-8 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.6 x 10-8 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.0 x 10-8 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 8.1 x 10-8 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.5 x 10-7 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.6 x 10-8 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 769.96 | ||
| pKa | 9.16 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 1.73 ± 0.10 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.25 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 615.5 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 14 | (1) ACD | |
| H Abakira | 13 | (1) ACD | |
| H Abaterankunga | 3 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 16 | (1) ACD | |
| logP | 7.710 ± 0.709 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 769.96 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 155 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
13C NMR
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